(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

C7H14Cl2N4 — CID 71758273

IUPAC(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCc1nnc(CN)n1C1CC1.Cl.Cl
InChIInChI=1S/C7H12N4.2ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;;/h6H,2-4,8H2,1H3;2*1H
InChIKeySBOYCGKHAKGMHB-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.22
Rot. Bonds2

About (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride

(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 71758273) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID71758273
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCc1nnc(CN)n1C1CC1.Cl.Cl
InChIInChI=1S/C7H12N4.2ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;;/h6H,2-4,8H2,1H3;2*1H
InChIKeySBOYCGKHAKGMHB-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 71758273) is (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is Cc1nnc(CN)n1C1CC1.Cl.Cl.
What is the InChIKey of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is SBOYCGKHAKGMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-5-9-10-7(4-8)11(5)6-2-3-6;;/h6H,2-4,8H2,1H3;2*1H.
What are the key properties of (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 71758273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).