N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine

C12H23N5 — CID 56702202

IUPACN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine
SMILESCC(C)n1cnnc1CN(C)C1CCCNC1
InChIInChI=1S/C12H23N5/c1-10(2)17-9-14-15-12(17)8-16(3)11-5-4-6-13-7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyMSQNVJGDITVYTE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.04
Rot. Bonds4

About N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine

N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine (PubChem CID 56702202) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine
PubChem CID56702202
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine
SMILESCC(C)n1cnnc1CN(C)C1CCCNC1
InChIInChI=1S/C12H23N5/c1-10(2)17-9-14-15-12(17)8-16(3)11-5-4-6-13-7-11/h9-11,13H,4-8H2,1-3H3
InChIKeyMSQNVJGDITVYTE-UHFFFAOYSA-N
XLogP1.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine (CID 56702202) is N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine is CC(C)n1cnnc1CN(C)C1CCCNC1.
What is the InChIKey of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is MSQNVJGDITVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)17-9-14-15-12(17)8-16(3)11-5-4-6-13-7-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine?
N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 237.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56702202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).