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

C12H19N5 — CID 103527603

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ncn(C)n2)c1
InChIInChI=1S/C12H19N5/c1-3-5-17-6-4-11(9-17)7-13-8-12-14-10-16(2)15-12/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyCYWHMGHHAGALSX-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.32
Rot. Bonds6

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (PubChem CID 103527603) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
PubChem CID103527603
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
SMILESCCCn1ccc(CNCc2ncn(C)n2)c1
InChIInChI=1S/C12H19N5/c1-3-5-17-6-4-11(9-17)7-13-8-12-14-10-16(2)15-12/h4,6,9-10,13H,3,5,7-8H2,1-2H3
InChIKeyCYWHMGHHAGALSX-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-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
1-(1-propylpyrrol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236414
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
1-(1-propylpyrrol-3-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833951
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[(1-propylpyrrol-3-yl)methylamino]propanenitrile
CID 66399043
N-[(5-methylfuran-2-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66414995
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 66415770
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884413
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine (CID 103527603) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is CCCn1ccc(CNCc2ncn(C)n2)c1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
The InChIKey is CYWHMGHHAGALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-5-17-6-4-11(9-17)7-13-8-12-14-10-16(2)15-12/h4,6,9-10,13H,3,5,7-8H2,1-2H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-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-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine is sourced from PubChem (CID 103527603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).