(1-propyltriazol-4-yl)methanamine;dihydrochloride

C6H14Cl2N4 — CID 126809339

IUPAC(1-propyltriazol-4-yl)methanamine;dihydrochloride
SMILESCCCn1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-2-3-10-5-6(4-7)8-9-10;;/h5H,2-4,7H2,1H3;2*1H
InChIKeyGDNVSEDSMHBLKS-UHFFFAOYSA-N
MW213.11 g/mol
LogP0.99
Rot. Bonds3

About (1-propyltriazol-4-yl)methanamine;dihydrochloride

(1-propyltriazol-4-yl)methanamine;dihydrochloride (PubChem CID 126809339) has the molecular formula C6H14Cl2N4 and a molecular weight of 213.11 g/mol. Its IUPAC name is (1-propyltriazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-propyltriazol-4-yl)methanamine;dihydrochloride
PubChem CID126809339
Molecular FormulaC6H14Cl2N4
Molecular Weight213.11 g/mol
Exact Mass212.06
IUPAC Name(1-propyltriazol-4-yl)methanamine;dihydrochloride
SMILESCCCn1cc(CN)nn1.Cl.Cl
InChIInChI=1S/C6H12N4.2ClH/c1-2-3-10-5-6(4-7)8-9-10;;/h5H,2-4,7H2,1H3;2*1H
InChIKeyGDNVSEDSMHBLKS-UHFFFAOYSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 62757243
2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
N-[(1-ethyltriazol-4-yl)methyl]-N-methylprop-2-yn-1-amine
CID 155544230
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 59155120
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
2-(1-ethyl-1H-1,2,3-triazol-4-yl)ethan-1-amine
CID 83635332
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826

Frequently Asked Questions

What is the IUPAC name of (1-propyltriazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (1-propyltriazol-4-yl)methanamine;dihydrochloride (CID 126809339) is (1-propyltriazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-propyltriazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-propyltriazol-4-yl)methanamine;dihydrochloride is CCCn1cc(CN)nn1.Cl.Cl.
What is the InChIKey of (1-propyltriazol-4-yl)methanamine;dihydrochloride?
The InChIKey is GDNVSEDSMHBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.2ClH/c1-2-3-10-5-6(4-7)8-9-10;;/h5H,2-4,7H2,1H3;2*1H.
What are the key properties of (1-propyltriazol-4-yl)methanamine;dihydrochloride?
(1-propyltriazol-4-yl)methanamine;dihydrochloride has a molecular weight of 213.11 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltriazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 126809339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).