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

C5H11N5 — CID 61319976

IUPAC5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
SMILESCC(N)Cc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H3,7,8,9,10)
InChIKeyKEYOBENNMBZXSL-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.72
Rot. Bonds2

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

5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine (PubChem CID 61319976) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
PubChem CID61319976
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine
SMILESCC(N)Cc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H3,7,8,9,10)
InChIKeyKEYOBENNMBZXSL-UHFFFAOYSA-N
XLogP-0.72
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine (CID 61319976) is 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine is CC(N)Cc1nc(N)n[nH]1.
What is the InChIKey of 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is KEYOBENNMBZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-3(6)2-4-8-5(7)10-9-4/h3H,2,6H2,1H3,(H3,7,8,9,10).
What are the key properties of 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine?
5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 141.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 61319976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).