N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C11H15N7O — CID 136879253

IUPACN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCn1ccnn1)c1cn2c(n1)NCCC2
InChIInChI=1S/C11H15N7O/c19-10(12-3-6-18-7-4-14-16-18)9-8-17-5-1-2-13-11(17)15-9/h4,7-8H,1-3,5-6H2,(H,12,19)(H,13,15)
InChIKeyRQPXWNGKJIQTOF-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.28
Rot. Bonds4

About N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136879253) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136879253
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCn1ccnn1)c1cn2c(n1)NCCC2
InChIInChI=1S/C11H15N7O/c19-10(12-3-6-18-7-4-14-16-18)9-8-17-5-1-2-13-11(17)15-9/h4,7-8H,1-3,5-6H2,(H,12,19)(H,13,15)
InChIKeyRQPXWNGKJIQTOF-UHFFFAOYSA-N
XLogP-0.28
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione
CID 1051510
N(2),3-ethenoguanine
CID 176480
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
CID 165415160
(E)-8-((3-(1H-imidazol-1-yl)propyl)amino)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 5389846
8-Imidazol-1-yl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
CID 653281
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-allyl-1,7-dimethyl-
CID 3069972
5H,6H,7H,8H-imidazo(1,5-a)pyrazin-8-one
CID 55276476
7-(2-Hydroxyethyl)-8-{[3-(1H-imidazol-1-YL)propyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CID 3729775
1,N2-Ethenoguanine
CID 124322
3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 58970104
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1H-1,2,3-triazole-5-carboxamide
CID 56910576
N-(2-((1H-imidazol-2-yl)amino)-2-oxoethyl)pyrazine-2-carboxamide
CID 71703882

Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136879253) is N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCCn1ccnn1)c1cn2c(n1)NCCC2.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RQPXWNGKJIQTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c19-10(12-3-6-18-7-4-14-16-18)9-8-17-5-1-2-13-11(17)15-9/h4,7-8H,1-3,5-6H2,(H,12,19)(H,13,15).
What are the key properties of N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 261.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136879253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).