N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H22N6O — CID 138002867

IUPACN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C)[C@H]1CC[C@@H](NC(=O)c2nc3n(n2)CCCN3)C1
InChIInChI=1S/C13H22N6O/c1-18(2)10-5-4-9(8-10)15-12(20)11-16-13-14-6-3-7-19(13)17-11/h9-10H,3-8H2,1-2H3,(H,15,20)(H,14,16,17)/t9-,10+/m1/s1
InChIKeyHGTWNHNIWWPSAT-ZJUUUORDSA-N
MW278.36 g/mol
LogP0.31
Rot. Bonds3

About N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138002867) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138002867
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C)[C@H]1CC[C@@H](NC(=O)c2nc3n(n2)CCCN3)C1
InChIInChI=1S/C13H22N6O/c1-18(2)10-5-4-9(8-10)15-12(20)11-16-13-14-6-3-7-19(13)17-11/h9-10H,3-8H2,1-2H3,(H,15,20)(H,14,16,17)/t9-,10+/m1/s1
InChIKeyHGTWNHNIWWPSAT-ZJUUUORDSA-N
XLogP0.31
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 138002867) is N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(C)[C@H]1CC[C@@H](NC(=O)c2nc3n(n2)CCCN3)C1.
What is the InChIKey of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HGTWNHNIWWPSAT-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22N6O/c1-18(2)10-5-4-9(8-10)15-12(20)11-16-13-14-6-3-7-19(13)17-11/h9-10H,3-8H2,1-2H3,(H,15,20)(H,14,16,17)/t9-,10+/m1/s1.
What are the key properties of N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138002867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).