N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H21N5O2 — CID 61039898

IUPACN-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(CCCO)C(C)C)nc2n1
InChIInChI=1S/C14H21N5O2/c1-9(2)18(6-5-7-20)13(21)12-16-14-15-10(3)8-11(4)19(14)17-12/h8-9,20H,5-7H2,1-4H3
InChIKeyKTAPLQFCJXYSAB-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.97
Rot. Bonds5

About N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 61039898) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID61039898
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(CCCO)C(C)C)nc2n1
InChIInChI=1S/C14H21N5O2/c1-9(2)18(6-5-7-20)13(21)12-16-14-15-10(3)8-11(4)19(14)17-12/h8-9,20H,5-7H2,1-4H3
InChIKeyKTAPLQFCJXYSAB-UHFFFAOYSA-N
XLogP0.97
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 61039898) is N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(CCCO)C(C)C)nc2n1.
What is the InChIKey of N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KTAPLQFCJXYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-9(2)18(6-5-7-20)13(21)12-16-14-15-10(3)8-11(4)19(14)17-12/h8-9,20H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-5,7-dimethyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 61039898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).