[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride

C10H21Cl2N5 — CID 119916298

IUPAC[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1ncnc1CN1CCCCC1CN
InChIInChI=1S/C10H19N5.2ClH/c1-14-10(12-8-13-14)7-15-5-3-2-4-9(15)6-11;;/h8-9H,2-7,11H2,1H3;2*1H
InChIKeyLSZKNCUZPZBBBN-UHFFFAOYSA-N
MW282.22 g/mol
LogP0.97
Rot. Bonds3

About [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride

[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride (PubChem CID 119916298) has the molecular formula C10H21Cl2N5 and a molecular weight of 282.22 g/mol. Its IUPAC name is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
PubChem CID119916298
Molecular FormulaC10H21Cl2N5
Molecular Weight282.22 g/mol
Exact Mass281.12
IUPAC Name[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.Cn1ncnc1CN1CCCCC1CN
InChIInChI=1S/C10H19N5.2ClH/c1-14-10(12-8-13-14)7-15-5-3-2-4-9(15)6-11;;/h8-9H,2-7,11H2,1H3;2*1H
InChIKeyLSZKNCUZPZBBBN-UHFFFAOYSA-N
XLogP0.97
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride (CID 119916298) is [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride is Cl.Cl.Cn1ncnc1CN1CCCCC1CN.
What is the InChIKey of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride?
The InChIKey is LSZKNCUZPZBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.2ClH/c1-14-10(12-8-13-14)7-15-5-3-2-4-9(15)6-11;;/h8-9H,2-7,11H2,1H3;2*1H.
What are the key properties of [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride?
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride has a molecular weight of 282.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119916298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).