5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride

C3H8ClN5 — CID 56763135

IUPAC5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.NCc1nc(N)n[nH]1
InChIInChI=1S/C3H7N5.ClH/c4-1-2-6-3(5)8-7-2;/h1,4H2,(H3,5,6,7,8);1H
InChIKeyQLCNXRNCRBCZSY-UHFFFAOYSA-N
MW149.59 g/mol
LogP-0.73
Rot. Bonds1

About 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride

5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 56763135) has the molecular formula C3H8ClN5 and a molecular weight of 149.59 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride
PubChem CID56763135
Molecular FormulaC3H8ClN5
Molecular Weight149.59 g/mol
Exact Mass149.05
IUPAC Name5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.NCc1nc(N)n[nH]1
InChIInChI=1S/C3H7N5.ClH/c4-1-2-6-3(5)8-7-2;/h1,4H2,(H3,5,6,7,8);1H
InChIKeyQLCNXRNCRBCZSY-UHFFFAOYSA-N
XLogP-0.73
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.59
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride (CID 56763135) is 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride is Cl.NCc1nc(N)n[nH]1.
What is the InChIKey of 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is QLCNXRNCRBCZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.ClH/c4-1-2-6-3(5)8-7-2;/h1,4H2,(H3,5,6,7,8);1H.
What are the key properties of 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride?
5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 149.59 g/mol, XLogP of -0.73, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 56763135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).