(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride

C6H14Cl2N4 — CID 119031929

IUPAC(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride
SMILESCC(C)n1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5(2)10-4-6(3-7)8-9-10;;/h4-5H,3,7H2,1-2H3;2*1H
InChIKeyHLJKMCFYIABFSX-UHFFFAOYSA-N
MW213.11 g/mol
LogP1.16
Rot. Bonds2

About (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride

(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 119031929) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride
PubChem CID119031929
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride
SMILESCC(C)n1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-5(2)10-4-6(3-7)8-9-10;;/h4-5H,3,7H2,1-2H3;2*1H
InChIKeyHLJKMCFYIABFSX-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride (CID 119031929) is (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride is CC(C)n1cc(CN)nn1.Cl.Cl.
What is the InChIKey of (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is HLJKMCFYIABFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-5(2)10-4-6(3-7)8-9-10;;/h4-5H,3,7H2,1-2H3;2*1H.
What are the key properties of (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride?
(1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 119031929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).