(3-methyltriazol-4-yl)methanamine;hydrochloride

C4H9ClN4 — CID 110209505

IUPAC(3-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1nncc1CN
InChIInChI=1S/C4H8N4.ClH/c1-8-4(2-5)3-6-7-8;/h3H,2,5H2,1H3;1H
InChIKeyXKRPIBFYMNZDCI-UHFFFAOYSA-N
MW148.60 g/mol
LogP-0.30
Rot. Bonds1

About (3-methyltriazol-4-yl)methanamine;hydrochloride

(3-methyltriazol-4-yl)methanamine;hydrochloride (PubChem CID 110209505) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)methanamine;hydrochloride
PubChem CID110209505
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name(3-methyltriazol-4-yl)methanamine;hydrochloride
SMILESCl.Cn1nncc1CN
InChIInChI=1S/C4H8N4.ClH/c1-8-4(2-5)3-6-7-8;/h3H,2,5H2,1H3;1H
InChIKeyXKRPIBFYMNZDCI-UHFFFAOYSA-N
XLogP-0.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyltriazol-4-yl)methanamine;hydrochloride (CID 110209505) is (3-methyltriazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyltriazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyltriazol-4-yl)methanamine;hydrochloride is Cl.Cn1nncc1CN.
What is the InChIKey of (3-methyltriazol-4-yl)methanamine;hydrochloride?
The InChIKey is XKRPIBFYMNZDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-4(2-5)3-6-7-8;/h3H,2,5H2,1H3;1H.
What are the key properties of (3-methyltriazol-4-yl)methanamine;hydrochloride?
(3-methyltriazol-4-yl)methanamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 110209505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).