N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine

C12H19N5 — CID 66412559

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1nncn1C
InChIInChI=1S/C12H19N5/c1-3-6-17-7-4-5-11(17)8-13-9-12-15-14-10-16(12)2/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyRZZIHPLPNVGHKO-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.32
Rot. Bonds6

About N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (PubChem CID 66412559) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
PubChem CID66412559
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
SMILESCCCn1cccc1CNCc1nncn1C
InChIInChI=1S/C12H19N5/c1-3-6-17-7-4-5-11(17)8-13-9-12-15-14-10-16(12)2/h4-5,7,10,13H,3,6,8-9H2,1-2H3
InChIKeyRZZIHPLPNVGHKO-UHFFFAOYSA-N
XLogP1.32
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648591
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
1-(1-ethylpyrrol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 66415171
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895919
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413347
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62118264

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine (CID 66412559) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine is CCCn1cccc1CNCc1nncn1C.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
The InChIKey is RZZIHPLPNVGHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-6-17-7-4-5-11(17)8-13-9-12-15-14-10-16(12)2/h4-5,7,10,13H,3,6,8-9H2,1-2H3.
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine has a molecular weight of 233.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine is sourced from PubChem (CID 66412559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).