3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline

C20H22N10 — CID 70311636

IUPAC3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline
SMILESCc1cc(-c2nnc(N3CCC[C@@H]3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1
InChIInChI=1S/C20H22N10/c1-13-11-14(8-9-22-13)19-24-25-20(28(19)2)29-10-4-7-17(29)18-23-27-30(26-18)16-6-3-5-15(21)12-16/h3,5-6,8-9,11-12,17H,4,7,10,21H2,1-2H3/t17-/m1/s1
InChIKeyKDSSUXCUTILNIJ-QGZVFWFLSA-N
MW402.47 g/mol
LogP2.08
Rot. Bonds4

About 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline

3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline (PubChem CID 70311636) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline.

Molecular Properties

Compound Name3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline
PubChem CID70311636
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC Name3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline
SMILESCc1cc(-c2nnc(N3CCC[C@@H]3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1
InChIInChI=1S/C20H22N10/c1-13-11-14(8-9-22-13)19-24-25-20(28(19)2)29-10-4-7-17(29)18-23-27-30(26-18)16-6-3-5-15(21)12-16/h3,5-6,8-9,11-12,17H,4,7,10,21H2,1-2H3/t17-/m1/s1
InChIKeyKDSSUXCUTILNIJ-QGZVFWFLSA-N
XLogP2.08
TPSA116.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[1-(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 59007719
3-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-4-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]morpholine
CID 11293514
2-methyl-4-(1-phenylpyrrolidin-2-yl)pyridine
CID 138975238
5-[5-[(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-4-methyl-1,2,4-triazol-3-yl]pyridin-2-amine
CID 25241835
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437
4-[4-methyl-5-[(2R)-2-[5-(3-methylphenyl)-1,2-oxazol-3-yl]pyrrolidin-1-yl]-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 59006672
(4-bromocyclopenta-1,3-dien-1-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 143434663
2-methyl-4-[(2R)-1-propylpyrrolidin-2-yl]pyridine
CID 124500080
3-[5-[1-(2-methylbutanoyl)piperidin-2-yl]tetrazol-2-yl]benzonitrile
CID 70315288
4-methyl-3-[(2S)-2-methylpyrrolidin-1-yl]-5-(5-methylthiophen-2-yl)-1,2,4-triazole
CID 100722970
6-(4-methyl-5-naphthalen-2-yl-1,2,4-triazol-3-yl)-6-azabicyclo[3.2.0]heptane
CID 167807115

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline?
The IUPAC name of 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline (CID 70311636) is 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline.
What is the SMILES notation for 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline?
The canonical SMILES for 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline is Cc1cc(-c2nnc(N3CCC[C@@H]3c3nnn(-c4cccc(N)c4)n3)n2C)ccn1.
What is the InChIKey of 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline?
The InChIKey is KDSSUXCUTILNIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N10/c1-13-11-14(8-9-22-13)19-24-25-20(28(19)2)29-10-4-7-17(29)18-23-27-30(26-18)16-6-3-5-15(21)12-16/h3,5-6,8-9,11-12,17H,4,7,10,21H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline?
3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline has a molecular weight of 402.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-1-[4-methyl-5-(2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]pyrrolidin-2-yl]tetrazol-2-yl]aniline is sourced from PubChem (CID 70311636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).