(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride

C8H16ClN7O — CID 70249315

IUPAC(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
SMILESCl.Cn1cnc(CN)n1.Cn1cnc(CO)n1
InChIInChI=1S/C4H8N4.C4H7N3O.ClH/c1-8-3-6-4(2-5)7-8;1-7-3-5-4(2-8)6-7;/h3H,2,5H2,1H3;3,8H,2H2,1H3;1H
InChIKeyQSUWRZJKTNSEHJ-UHFFFAOYSA-N
MW261.72 g/mol
LogP-1.00
Rot. Bonds2

About (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride

(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride (PubChem CID 70249315) has the molecular formula C8H16ClN7O and a molecular weight of 261.72 g/mol. Its IUPAC name is (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
PubChem CID70249315
Molecular FormulaC8H16ClN7O
Molecular Weight261.72 g/mol
Exact Mass261.11
IUPAC Name(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride
SMILESCl.Cn1cnc(CN)n1.Cn1cnc(CO)n1
InChIInChI=1S/C4H8N4.C4H7N3O.ClH/c1-8-3-6-4(2-5)7-8;1-7-3-5-4(2-8)6-7;/h3H,2,5H2,1H3;3,8H,2H2,1H3;1H
InChIKeyQSUWRZJKTNSEHJ-UHFFFAOYSA-N
XLogP-1.00
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The IUPAC name of (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride (CID 70249315) is (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride.
What is the SMILES notation for (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The canonical SMILES for (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride is Cl.Cn1cnc(CN)n1.Cn1cnc(CO)n1.
What is the InChIKey of (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
The InChIKey is QSUWRZJKTNSEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C4H7N3O.ClH/c1-8-3-6-4(2-5)7-8;1-7-3-5-4(2-8)6-7;/h3H,2,5H2,1H3;3,8H,2H2,1H3;1H.
What are the key properties of (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride?
(1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride has a molecular weight of 261.72 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-1,2,4-triazol-3-yl)methanamine;(1-methyl-1,2,4-triazol-3-yl)methanol;hydrochloride is sourced from PubChem (CID 70249315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).