2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile

C16H17N5OS — CID 135267198

IUPAC2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile
SMILESN#Cc1ccc(OC2CC2)cc1CSc1cc(N)ncc1NN
InChIInChI=1S/C16H17N5OS/c17-7-10-1-2-13(22-12-3-4-12)5-11(10)9-23-15-6-16(18)20-8-14(15)21-19/h1-2,5-6,8,12,21H,3-4,9,19H2,(H2,18,20)
InChIKeyIWCSNQZIVNINTE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile

2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile (PubChem CID 135267198) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile
PubChem CID135267198
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile
SMILESN#Cc1ccc(OC2CC2)cc1CSc1cc(N)ncc1NN
InChIInChI=1S/C16H17N5OS/c17-7-10-1-2-13(22-12-3-4-12)5-11(10)9-23-15-6-16(18)20-8-14(15)21-19/h1-2,5-6,8,12,21H,3-4,9,19H2,(H2,18,20)
InChIKeyIWCSNQZIVNINTE-UHFFFAOYSA-N
XLogP2.65
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanylmethyl]-4-(difluoromethoxy)benzonitrile
CID 130378565
2-methyl-5-[4-(propan-2-ylamino)cyclohexyl]oxybenzonitrile
CID 134166783
2-[(6-amino-3-pyridinyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64770255
2-chloro-5-cyclohexyloxybenzonitrile
CID 144584681
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
4-cyclobutyloxy-2-(trifluoromethyl)benzonitrile
CID 46181472
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
(4-cyclopropyloxy-6-fluoro-3-pyridinyl)hydrazine
CID 162687283
2-[(4-amino-2-fluorophenyl)sulfanylmethyl]-4-fluorobenzonitrile
CID 64767748
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
5-(4-cyclopropyloxyphenyl)pyridin-2-amine
CID 114519908
N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile?
The IUPAC name of 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile (CID 135267198) is 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile.
What is the SMILES notation for 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile?
The canonical SMILES for 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile is N#Cc1ccc(OC2CC2)cc1CSc1cc(N)ncc1NN.
What is the InChIKey of 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile?
The InChIKey is IWCSNQZIVNINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c17-7-10-1-2-13(22-12-3-4-12)5-11(10)9-23-15-6-16(18)20-8-14(15)21-19/h1-2,5-6,8,12,21H,3-4,9,19H2,(H2,18,20).
What are the key properties of 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile?
2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile has a molecular weight of 327.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-hydrazinyl-4-pyridinyl)sulfanylmethyl]-4-cyclopropyloxybenzonitrile is sourced from PubChem (CID 135267198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).