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

C13H25N5 — CID 70768653

IUPACN-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CCCNC1
InChIInChI=1S/C13H25N5/c1-11(2)18-10-15-16-13(18)9-17(3)8-12-5-4-6-14-7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyFDQZWRMGOIXBRW-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.29
Rot. Bonds5

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

N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 70768653) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID70768653
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCC(C)n1cnnc1CN(C)CC1CCCNC1
InChIInChI=1S/C13H25N5/c1-11(2)18-10-15-16-13(18)9-17(3)8-12-5-4-6-14-7-12/h10-12,14H,4-9H2,1-3H3
InChIKeyFDQZWRMGOIXBRW-UHFFFAOYSA-N
XLogP1.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine (CID 70768653) is N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is CC(C)n1cnnc1CN(C)CC1CCCNC1.
What is the InChIKey of N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is FDQZWRMGOIXBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-11(2)18-10-15-16-13(18)9-17(3)8-12-5-4-6-14-7-12/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine?
N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-3-yl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 70768653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).