(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

C6H12Cl2N4 — CID 50988414

IUPAC(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nncn1C1CC1
InChIInChI=1S/C6H10N4.2ClH/c7-3-6-9-8-4-10(6)5-1-2-5;;/h4-5H,1-3,7H2;2*1H
InChIKeyVOWLADHOMJYRNM-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.92
Rot. Bonds2

About (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 50988414) has the molecular formula C6H12Cl2N4 and a molecular weight of 211.10 g/mol. Its IUPAC name is (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID50988414
Molecular FormulaC6H12Cl2N4
Molecular Weight211.10 g/mol
Exact Mass210.04
IUPAC Name(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nncn1C1CC1
InChIInChI=1S/C6H10N4.2ClH/c7-3-6-9-8-4-10(6)5-1-2-5;;/h4-5H,1-3,7H2;2*1H
InChIKeyVOWLADHOMJYRNM-UHFFFAOYSA-N
XLogP0.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
1-(1-Methyl-1H-1,2,4-triazol-5-yl)ethan-1-amine
CID 45791132
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
1-(4-propyl-4H-1,2,4-triazol-3-yl)methanamine
CID 28063951
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
CID 44118466
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988294

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 50988414) is (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nncn1C1CC1.
What is the InChIKey of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is VOWLADHOMJYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.2ClH/c7-3-6-9-8-4-10(6)5-1-2-5;;/h4-5H,1-3,7H2;2*1H.
What are the key properties of (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 211.10 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 50988414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).