3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride

C8H16Cl2N4 — CID 54592710

IUPAC3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H14N4.2ClH/c9-5-1-2-7-10-8(12-11-7)6-3-4-6;;/h6H,1-5,9H2,(H,10,11,12);2*1H
InChIKeyCSNYCJQHMVNDKX-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.42
Rot. Bonds4

About 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride

3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride (PubChem CID 54592710) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride
PubChem CID54592710
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C8H14N4.2ClH/c9-5-1-2-7-10-8(12-11-7)6-3-4-6;;/h6H,1-5,9H2,(H,10,11,12);2*1H
InChIKeyCSNYCJQHMVNDKX-UHFFFAOYSA-N
XLogP1.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride (CID 54592710) is 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1nc(C2CC2)n[nH]1.
What is the InChIKey of 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride?
The InChIKey is CSNYCJQHMVNDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c9-5-1-2-7-10-8(12-11-7)6-3-4-6;;/h6H,1-5,9H2,(H,10,11,12);2*1H.
What are the key properties of 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride?
3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 54592710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).