N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide

C13H17N5O2 — CID 140844619

IUPACN'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide
SMILESO=C(NN[C@@H]1CCCC[C@@H]1O)c1ccc2cncnn12
InChIInChI=1S/C13H17N5O2/c19-12-4-2-1-3-10(12)16-17-13(20)11-6-5-9-7-14-8-15-18(9)11/h5-8,10,12,16,19H,1-4H2,(H,17,20)/t10-,12+/m1/s1
InChIKeyOMPVEEGRNUIHGB-PWSUYJOCSA-N
MW275.31 g/mol
LogP0.27
Rot. Bonds3

About N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide

N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide (PubChem CID 140844619) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide
PubChem CID140844619
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide
SMILESO=C(NN[C@@H]1CCCC[C@@H]1O)c1ccc2cncnn12
InChIInChI=1S/C13H17N5O2/c19-12-4-2-1-3-10(12)16-17-13(20)11-6-5-9-7-14-8-15-18(9)11/h5-8,10,12,16,19H,1-4H2,(H,17,20)/t10-,12+/m1/s1
InChIKeyOMPVEEGRNUIHGB-PWSUYJOCSA-N
XLogP0.27
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 140844620
pyrrolo[2,1-f][1,2,4]triazin-7-ylcarbamic acid
CID 155437294
methyl 2-amino-2-pyrrolo[2,1-f][1,2,4]triazin-7-ylacetate
CID 131615795
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(4-bromothiophen-3-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122541859
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
2-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
CID 122541846
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
N-[1-tert-butyl-3-(difluoromethyl)pyrazol-4-yl]-2-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 122515374
5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146598719

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide?
The IUPAC name of N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide (CID 140844619) is N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide.
What is the SMILES notation for N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide?
The canonical SMILES for N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide is O=C(NN[C@@H]1CCCC[C@@H]1O)c1ccc2cncnn12.
What is the InChIKey of N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide?
The InChIKey is OMPVEEGRNUIHGB-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-12-4-2-1-3-10(12)16-17-13(20)11-6-5-9-7-14-8-15-18(9)11/h5-8,10,12,16,19H,1-4H2,(H,17,20)/t10-,12+/m1/s1.
What are the key properties of N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide?
N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-hydroxycyclohexyl]pyrrolo[2,1-f][1,2,4]triazine-7-carbohydrazide is sourced from PubChem (CID 140844619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).