N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide

C11H12ClN5O2 — CID 168891321

IUPACN-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide
SMILESCC(C)(O)c1cnn(-c2ncc(NC=O)cc2Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-11(2,19)9-5-15-17(16-9)10-8(12)3-7(4-13-10)14-6-18/h3-6,19H,1-2H3,(H,14,18)
InChIKeyCYVDRJQUSOOIGL-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.11
Rot. Bonds4

About N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide

N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide (PubChem CID 168891321) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide
PubChem CID168891321
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC NameN-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide
SMILESCC(C)(O)c1cnn(-c2ncc(NC=O)cc2Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-11(2,19)9-5-15-17(16-9)10-8(12)3-7(4-13-10)14-6-18/h3-6,19H,1-2H3,(H,14,18)
InChIKeyCYVDRJQUSOOIGL-UHFFFAOYSA-N
XLogP1.11
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-11-chloro-N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539418
1-[2-[3-chloro-5-(methylamino)-2-pyridinyl]triazol-4-yl]ethanol
CID 156564027
[5-chloro-6-[4-[(dimethylamino)methyl]triazol-2-yl]-3-pyridinyl]carbamic acid
CID 156539805
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]formamide
CID 164599964
(3R)-11-chloro-N-[5-chloro-6-[4-[(1R)-1,2-dihydroxyethyl]triazol-2-yl]-3-pyridinyl]-3-methyl-3-(trifluoromethyl)-1,5,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156802929
N-[6-[4-[1-[tert-butyl(dimethyl)silyl]oxyethyl]triazol-2-yl]-5-chloro-3-pyridinyl]-11-chlorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
CID 174059521
2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide
CID 165087809
11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3,3-dimethyl-4-oxa-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide;chloromethane;prop-1-ene
CID 168891289
1-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-[4-(2-methoxypropan-2-yl)quinolin-3-yl]urea
CID 162655394
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
CID 169122171
tert-butyl N-[1-[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-N-methylcarbamate
CID 166112667
N-(3-chloro-4-iodophenyl)formamide
CID 168651125

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide?
The IUPAC name of N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide (CID 168891321) is N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide.
What is the SMILES notation for N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide?
The canonical SMILES for N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide is CC(C)(O)c1cnn(-c2ncc(NC=O)cc2Cl)n1.
What is the InChIKey of N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide?
The InChIKey is CYVDRJQUSOOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-11(2,19)9-5-15-17(16-9)10-8(12)3-7(4-13-10)14-6-18/h3-6,19H,1-2H3,(H,14,18).
What are the key properties of N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide?
N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide has a molecular weight of 281.70 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-3-pyridinyl]formamide is sourced from PubChem (CID 168891321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).