N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine

C18H25N9 — CID 70745149

IUPACN,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc(C2CCN(c3nnnn3-c3ccccc3)CC2)n1C
InChIInChI=1S/C18H25N9/c1-24(2)13-16-19-20-17(25(16)3)14-9-11-26(12-10-14)18-21-22-23-27(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyIPVNSVMKDKQCMA-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.24
Rot. Bonds5

About N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine

N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 70745149) has the molecular formula C18H25N9 and a molecular weight of 367.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID70745149
Molecular FormulaC18H25N9
Molecular Weight367.46 g/mol
Exact Mass367.22
IUPAC NameN,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESCN(C)Cc1nnc(C2CCN(c3nnnn3-c3ccccc3)CC2)n1C
InChIInChI=1S/C18H25N9/c1-24(2)13-16-19-20-17(25(16)3)14-9-11-26(12-10-14)18-21-22-23-27(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyIPVNSVMKDKQCMA-UHFFFAOYSA-N
XLogP1.24
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine (CID 70745149) is N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine is CN(C)Cc1nnc(C2CCN(c3nnnn3-c3ccccc3)CC2)n1C.
What is the InChIKey of N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IPVNSVMKDKQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9/c1-24(2)13-16-19-20-17(25(16)3)14-9-11-26(12-10-14)18-21-22-23-27(18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine?
N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 367.46 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-methyl-5-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 70745149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).