2H-triazol-4-ylmethanamine;dihydrochloride

C3H8Cl2N4 — CID 118703176

IUPAC2H-triazol-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cn[nH]n1
InChIInChI=1S/C3H6N4.2ClH/c4-1-3-2-5-7-6-3;;/h2H,1,4H2,(H,5,6,7);2*1H
InChIKeyIDKGIEKHVFVAQQ-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.11
Rot. Bonds1

About 2H-triazol-4-ylmethanamine;dihydrochloride

2H-triazol-4-ylmethanamine;dihydrochloride (PubChem CID 118703176) has the molecular formula C3H8Cl2N4 and a molecular weight of 171.03 g/mol. Its IUPAC name is 2H-triazol-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name2H-triazol-4-ylmethanamine;dihydrochloride
PubChem CID118703176
Molecular FormulaC3H8Cl2N4
Molecular Weight171.03 g/mol
Exact Mass170.01
IUPAC Name2H-triazol-4-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cn[nH]n1
InChIInChI=1S/C3H6N4.2ClH/c4-1-3-2-5-7-6-3;;/h2H,1,4H2,(H,5,6,7);2*1H
InChIKeyIDKGIEKHVFVAQQ-UHFFFAOYSA-N
XLogP0.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-1,2,3-triazol-4-ylmethanamine
CID 14359226
1-(1H-1,2,3-Triazol-5-yl)methanamine--hydrogen chloride (1/1)
CID 25241963
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 55284238
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine
CID 55284239
2-(1H-1,2,3-triazol-4-yl)ethan-1-amine dihydrochloride
CID 66992947
(2-ethyl-2H-1,2,3-triazol-4-yl)methanamine
CID 68179807
1-(1H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 118497027
1H-1,2,3-triazole-4-carboximidamide hydrochloride
CID 136981736
methyl[(1H-1,2,3-triazol-5-yl)methyl]amine
CID 53800752
5-(azidomethyl)-1H-1,2,3-triazole
CID 356106
methyl((1H-1,2,3-triazol-4-yl)methyl)amine hydrochloride
CID 119106308
3-Amino-5-methyltriazole
CID 18688999

Frequently Asked Questions

What is the IUPAC name of 2H-triazol-4-ylmethanamine;dihydrochloride?
The IUPAC name of 2H-triazol-4-ylmethanamine;dihydrochloride (CID 118703176) is 2H-triazol-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for 2H-triazol-4-ylmethanamine;dihydrochloride?
The canonical SMILES for 2H-triazol-4-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cn[nH]n1.
What is the InChIKey of 2H-triazol-4-ylmethanamine;dihydrochloride?
The InChIKey is IDKGIEKHVFVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.2ClH/c4-1-3-2-5-7-6-3;;/h2H,1,4H2,(H,5,6,7);2*1H.
What are the key properties of 2H-triazol-4-ylmethanamine;dihydrochloride?
2H-triazol-4-ylmethanamine;dihydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazol-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 118703176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).