N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C16H15N5O — CID 126448335

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)N[C@H]3CCc4ccccc43)nnc2n1
InChIInChI=1S/C16H15N5O/c1-10-8-9-21-14(19-20-16(21)17-10)15(22)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyKGGVGQRZDZMJMR-ZDUSSCGKSA-N
MW293.33 g/mol
LogP1.85
Rot. Bonds2

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 126448335) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID126448335
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)N[C@H]3CCc4ccccc43)nnc2n1
InChIInChI=1S/C16H15N5O/c1-10-8-9-21-14(19-20-16(21)17-10)15(22)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyKGGVGQRZDZMJMR-ZDUSSCGKSA-N
XLogP1.85
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 87543958
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-(2,3-dihydro-1H-inden-1-yl)-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 47071805
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 94660049
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxamide
CID 166307084
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 126448335) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1ccn2c(C(=O)N[C@H]3CCc4ccccc43)nnc2n1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is KGGVGQRZDZMJMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-8-9-21-14(19-20-16(21)17-10)15(22)18-13-7-6-11-4-2-3-5-12(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126448335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).