5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

C10H11ClN6S — CID 62886003

IUPAC5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CSc2nnnn2C2CC2)n1
InChIInChI=1S/C10H11ClN6S/c11-7-3-4-9(12)13-8(7)5-18-10-14-15-16-17(10)6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,13)
InChIKeyQRCGANFSJPTCFF-UHFFFAOYSA-N
MW282.76 g/mol
LogP1.93
Rot. Bonds4

About 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62886003) has the molecular formula C10H11ClN6S and a molecular weight of 282.76 g/mol. Its IUPAC name is 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62886003
Molecular FormulaC10H11ClN6S
Molecular Weight282.76 g/mol
Exact Mass282.05
IUPAC Name5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(CSc2nnnn2C2CC2)n1
InChIInChI=1S/C10H11ClN6S/c11-7-3-4-9(12)13-8(7)5-18-10-14-15-16-17(10)6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,13)
InChIKeyQRCGANFSJPTCFF-UHFFFAOYSA-N
XLogP1.93
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
CID 63747150
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
CID 27935969
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509451
2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 80606343
3-chloro-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 102670281
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3-benzoxazol-6-amine
CID 79998858
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,5-dichlorophenyl)ethanone
CID 43231253
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (CID 62886003) is 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is Nc1ccc(Cl)c(CSc2nnnn2C2CC2)n1.
What is the InChIKey of 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is QRCGANFSJPTCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6S/c11-7-3-4-9(12)13-8(7)5-18-10-14-15-16-17(10)6-1-2-6/h3-4,6H,1-2,5H2,(H2,12,13).
What are the key properties of 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 282.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62886003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).