[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride

C7H14Cl2N4 — CID 121209119

IUPAC[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(CC2CC2)nn1
InChIInChI=1S/C7H12N4.2ClH/c8-3-7-5-11(10-9-7)4-6-1-2-6;;/h5-6H,1-4,8H2;2*1H
InChIKeyKTKIAJIVCRRFDP-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.99
Rot. Bonds3

About [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride

[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride (PubChem CID 121209119) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride
PubChem CID121209119
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1cn(CC2CC2)nn1
InChIInChI=1S/C7H12N4.2ClH/c8-3-7-5-11(10-9-7)4-6-1-2-6;;/h5-6H,1-4,8H2;2*1H
InChIKeyKTKIAJIVCRRFDP-UHFFFAOYSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride (CID 121209119) is [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride is Cl.Cl.NCc1cn(CC2CC2)nn1.
What is the InChIKey of [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride?
The InChIKey is KTKIAJIVCRRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c8-3-7-5-11(10-9-7)4-6-1-2-6;;/h5-6H,1-4,8H2;2*1H.
What are the key properties of [1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride?
[1-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride has a molecular weight of 225.12 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-(cyclopropylmethyl)triazol-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 121209119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).