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

C9H15N7 — CID 106228558

IUPAC1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ncnn2C)nn1
InChIInChI=1S/C9H15N7/c1-3-7(10)8-4-16(14-13-8)5-9-11-6-12-15(9)2/h4,6-7H,3,5,10H2,1-2H3
InChIKeyYWCMHDASMSSJBD-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.14
Rot. Bonds4

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

1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106228558) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106228558
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ncnn2C)nn1
InChIInChI=1S/C9H15N7/c1-3-7(10)8-4-16(14-13-8)5-9-11-6-12-15(9)2/h4,6-7H,3,5,10H2,1-2H3
InChIKeyYWCMHDASMSSJBD-UHFFFAOYSA-N
XLogP-0.14
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106228352
2-amino-3-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116734992
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
4-(1-bromopropyl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]triazole
CID 113482860
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
(1S)-1-(1-methyltriazol-4-yl)propan-1-amine;hydrochloride
CID 155858601
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
1-[1-(2-phenylethyl)triazol-4-yl]propan-1-amine
CID 106227563
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228344
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine (CID 106228558) is 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2ncnn2C)nn1.
What is the InChIKey of 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is YWCMHDASMSSJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-3-7(10)8-4-16(14-13-8)5-9-11-6-12-15(9)2/h4,6-7H,3,5,10H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 221.27 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106228558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).