4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine

C15H21N5 — CID 120909410

IUPAC4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)ccc1-n1cncn1
InChIInChI=1S/C15H21N5/c1-11-5-13(7-19-6-12(2)14(16)8-19)3-4-15(11)20-10-17-9-18-20/h3-5,9-10,12,14H,6-8,16H2,1-2H3
InChIKeyNIPIBQLESYXBQK-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.35
Rot. Bonds3

About 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine

4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 120909410) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID120909410
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine
SMILESCc1cc(CN2CC(C)C(N)C2)ccc1-n1cncn1
InChIInChI=1S/C15H21N5/c1-11-5-13(7-19-6-12(2)14(16)8-19)3-4-15(11)20-10-17-9-18-20/h3-5,9-10,12,14H,6-8,16H2,1-2H3
InChIKeyNIPIBQLESYXBQK-UHFFFAOYSA-N
XLogP1.35
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
CID 75439533
6-(methoxymethyl)-2,2-dimethyl-4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]morpholine
CID 154738911
3-ethyl-9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 75439988
4-methyl-1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909674
9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500687
2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907058
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
4-methyl-1-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909162
1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910449
1-[4-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-2-methylphenyl]-1,2,4-triazole
CID 128979667
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine (CID 120909410) is 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine is Cc1cc(CN2CC(C)C(N)C2)ccc1-n1cncn1.
What is the InChIKey of 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is NIPIBQLESYXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-5-13(7-19-6-12(2)14(16)8-19)3-4-15(11)20-10-17-9-18-20/h3-5,9-10,12,14H,6-8,16H2,1-2H3.
What are the key properties of 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine?
4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120909410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).