5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine

C11H14ClN7 — CID 164513227

IUPAC5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
SMILESCc1nnc(CNc2nc(Cl)cnc2N)n1C1CC1
InChIInChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyDOFJBAVHDFWANZ-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.56
Rot. Bonds4

About 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine

5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine (PubChem CID 164513227) has the molecular formula C11H14ClN7 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
PubChem CID164513227
Molecular FormulaC11H14ClN7
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine
SMILESCc1nnc(CNc2nc(Cl)cnc2N)n1C1CC1
InChIInChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyDOFJBAVHDFWANZ-UHFFFAOYSA-N
XLogP1.56
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine (CID 164513227) is 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine is Cc1nnc(CNc2nc(Cl)cnc2N)n1C1CC1.
What is the InChIKey of 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine?
The InChIKey is DOFJBAVHDFWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine?
5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine has a molecular weight of 279.73 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 164513227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).