5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine

C6H13N5 — CID 83872825

IUPAC5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(CC(C)N)n1
InChIInChI=1S/C6H13N5/c1-4(7)3-5-9-6(8-2)11-10-5/h4H,3,7H2,1-2H3,(H2,8,9,10,11)
InChIKeyCTCKZKAFNNKPPQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.26
Rot. Bonds3

About 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine

5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 83872825) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
PubChem CID83872825
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine
SMILESCNc1n[nH]c(CC(C)N)n1
InChIInChI=1S/C6H13N5/c1-4(7)3-5-9-6(8-2)11-10-5/h4H,3,7H2,1-2H3,(H2,8,9,10,11)
InChIKeyCTCKZKAFNNKPPQ-UHFFFAOYSA-N
XLogP-0.26
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
CID 61319976
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
1-(3-methoxy-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 83872862
5-benzyl-N-methyl-1H-1,2,4-triazol-3-amine
CID 172619623
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
1-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]propan-2-amine
CID 83891348
N-(3,5-dichlorophenyl)-5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine
CID 86295426
(2R)-1-(5-fluoro-2H-indazol-3-yl)propan-2-amine
CID 92670275
1-(6-fluoro-2H-indazol-3-yl)propan-2-amine
CID 83907519
1-(3-amino-1H-1,2,4-triazol-5-yl)propan-2-ol
CID 54086471
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine (CID 83872825) is 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine is CNc1n[nH]c(CC(C)N)n1.
What is the InChIKey of 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is CTCKZKAFNNKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-4(7)3-5-9-6(8-2)11-10-5/h4H,3,7H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine?
5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 155.20 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 83872825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).