1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

C18H29N7 — CID 70739864

IUPAC1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C18H29N7/c1-5-25-17(13-23(3)4)21-22-18(25)16-6-8-24(9-7-16)12-15-10-19-14(2)20-11-15/h10-11,16H,5-9,12-13H2,1-4H3
InChIKeyWEQKXCNSEYPBDQ-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.84
Rot. Bonds6

About 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine

1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 70739864) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
PubChem CID70739864
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
SMILESCCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(C)nc2)CC1
InChIInChI=1S/C18H29N7/c1-5-25-17(13-23(3)4)21-22-18(25)16-6-8-24(9-7-16)12-15-10-19-14(2)20-11-15/h10-11,16H,5-9,12-13H2,1-4H3
InChIKeyWEQKXCNSEYPBDQ-UHFFFAOYSA-N
XLogP1.84
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine (CID 70739864) is 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is CCn1c(CN(C)C)nnc1C1CCN(Cc2cnc(C)nc2)CC1.
What is the InChIKey of 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is WEQKXCNSEYPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-5-25-17(13-23(3)4)21-22-18(25)16-6-8-24(9-7-16)12-15-10-19-14(2)20-11-15/h10-11,16H,5-9,12-13H2,1-4H3.
What are the key properties of 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine?
1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 343.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 70739864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).