[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine

C10H13N7S — CID 62464170

IUPAC[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(CSc2nnnn2C2CC2)ccn1
InChIInChI=1S/C10H13N7S/c11-13-9-5-7(3-4-12-9)6-18-10-14-15-16-17(10)8-1-2-8/h3-5,8H,1-2,6,11H2,(H,12,13)
InChIKeySDOXYZJOVPYNKC-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.98
Rot. Bonds5

About [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine

[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 62464170) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID62464170
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(CSc2nnnn2C2CC2)ccn1
InChIInChI=1S/C10H13N7S/c11-13-9-5-7(3-4-12-9)6-18-10-14-15-16-17(10)8-1-2-8/h3-5,8H,1-2,6,11H2,(H,12,13)
InChIKeySDOXYZJOVPYNKC-UHFFFAOYSA-N
XLogP0.98
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Pyridine, 4-(3-allylthio-5-(4H-1,2,4-triazolyl))-
CID 199043
Pyridine, 4-(3-(methylthio)-5(4H)-1,2,4-triazol-5-yl)-
CID 199148
Pyridine, 4-(3-ethylthio-5-(4H-1,2,4-triazolyl))-
CID 199041
Pyridine, 4-(3-propylthio-5-(4H-1,2,4-triazolyl))-
CID 199042
2-((1-methyl-1H-tetrazol-5-yl)thio)-N-(pyridin-4-ylmethyl)ethanamine hydrochloride
CID 2978455
4-[5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]pyridine
CID 884767
4-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridin-2-amine
CID 139361107
3-(5-ethylsulfanyl-1H-1,2,4-triazol-3-yl)pyridine
CID 85752805
4-(5-(Prop-2-ynylthio)-4H-1,2,4-triazol-3-yl)pyridine
CID 86687893
3-(5-butylsulfanyl-1H-1,2,4-triazol-3-yl)pyridine
CID 91580171
5-(3-pyridylmethylthio)-4H-1,2,4-triazole-3-ylamine
CID 4387864
3-(1H-1,2,4-triazol-3-ylsulfanylmethyl)pyridine
CID 3012534

Frequently Asked Questions

What is the IUPAC name of [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine (CID 62464170) is [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine is NNc1cc(CSc2nnnn2C2CC2)ccn1.
What is the InChIKey of [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is SDOXYZJOVPYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c11-13-9-5-7(3-4-12-9)6-18-10-14-15-16-17(10)8-1-2-8/h3-5,8H,1-2,6,11H2,(H,12,13).
What are the key properties of [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine?
[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 263.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62464170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).