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

C9H16Cl2N4 — CID 75480610

IUPAC(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C9H14N4.2ClH/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7;;/h6-7H,1-5,10H2;2*1H
InChIKeyXAFBBZGOCJRXAY-UHFFFAOYSA-N
MW251.16 g/mol
LogP1.79
Rot. Bonds3

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

(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (PubChem CID 75480610) has the molecular formula C9H16Cl2N4 and a molecular weight of 251.16 g/mol. Its IUPAC name is (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
PubChem CID75480610
Molecular FormulaC9H16Cl2N4
Molecular Weight251.16 g/mol
Exact Mass250.08
IUPAC Name(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C9H14N4.2ClH/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7;;/h6-7H,1-5,10H2;2*1H
InChIKeyXAFBBZGOCJRXAY-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The IUPAC name of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride (CID 75480610) is (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is Cl.Cl.NCc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
The InChIKey is XAFBBZGOCJRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4.2ClH/c10-5-8-11-12-9(6-1-2-6)13(8)7-3-4-7;;/h6-7H,1-5,10H2;2*1H.
What are the key properties of (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride?
(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride has a molecular weight of 251.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dicyclopropyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 75480610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).