N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine

C14H23N5 — CID 66403720

IUPACN-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1Cc1ncnn1C(C)C
InChIInChI=1S/C14H23N5/c1-4-7-15-9-13-6-5-8-18(13)10-14-16-11-17-19(14)12(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyKLTLNFYZQUPINQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds7

About N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine

N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine (PubChem CID 66403720) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
PubChem CID66403720
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cccn1Cc1ncnn1C(C)C
InChIInChI=1S/C14H23N5/c1-4-7-15-9-13-6-5-8-18(13)10-14-16-11-17-19(14)12(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3
InChIKeyKLTLNFYZQUPINQ-UHFFFAOYSA-N
XLogP2.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine with MolForge

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Related Compounds

3-bromo-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CID 114761244
2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-(propylamino)propan-2-ol
CID 66039620
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66403138
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403728
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
N-[[5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781446
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402782
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 42761700
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 102617084

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine (CID 66403720) is N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine is CCCNCc1cccn1Cc1ncnn1C(C)C.
What is the InChIKey of N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
The InChIKey is KLTLNFYZQUPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-7-15-9-13-6-5-8-18(13)10-14-16-11-17-19(14)12(2)3/h5-6,8,11-12,15H,4,7,9-10H2,1-3H3.
What are the key properties of N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine?
N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 66403720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).