5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine

C5H11N5 — CID 657726

IUPAC5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCNCCc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5/c1-7-3-2-4-8-5(6)10-9-4/h7H,2-3H2,1H3,(H3,6,8,9,10)
InChIKeyKNGTVQOTKFUWKU-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.85
Rot. Bonds3

About 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine

5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine (PubChem CID 657726) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine
PubChem CID657726
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine
SMILESCNCCc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5/c1-7-3-2-4-8-5(6)10-9-4/h7H,2-3H2,1H3,(H3,6,8,9,10)
InChIKeyKNGTVQOTKFUWKU-UHFFFAOYSA-N
XLogP-0.85
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine (CID 657726) is 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine is CNCCc1nc(N)n[nH]1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KNGTVQOTKFUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-7-3-2-4-8-5(6)10-9-4/h7H,2-3H2,1H3,(H3,6,8,9,10).
What are the key properties of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine?
5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 141.18 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 657726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).