1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine

C18H18ClN9S — CID 42601632

IUPAC1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine
SMILESCc1csc2c(-n3nc(Nc4cnc5c(c4)CN(C)CC5)nc3N)nc(Cl)nc12
InChIInChI=1S/C18H18ClN9S/c1-9-8-29-14-13(9)23-16(19)24-15(14)28-17(20)25-18(26-28)22-11-5-10-7-27(2)4-3-12(10)21-6-11/h5-6,8H,3-4,7H2,1-2H3,(H3,20,22,25,26)
InChIKeyDZRIYKDWJWXKDN-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine

1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 42601632) has the molecular formula C18H18ClN9S and a molecular weight of 427.93 g/mol. Its IUPAC name is 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine
PubChem CID42601632
Molecular FormulaC18H18ClN9S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC Name1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine
SMILESCc1csc2c(-n3nc(Nc4cnc5c(c4)CN(C)CC5)nc3N)nc(Cl)nc12
InChIInChI=1S/C18H18ClN9S/c1-9-8-29-14-13(9)23-16(19)24-15(14)28-17(20)25-18(26-28)22-11-5-10-7-27(2)4-3-12(10)21-6-11/h5-6,8H,3-4,7H2,1-2H3,(H3,20,22,25,26)
InChIKeyDZRIYKDWJWXKDN-UHFFFAOYSA-N
XLogP2.94
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine (CID 42601632) is 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine is Cc1csc2c(-n3nc(Nc4cnc5c(c4)CN(C)CC5)nc3N)nc(Cl)nc12.
What is the InChIKey of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine?
The InChIKey is DZRIYKDWJWXKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN9S/c1-9-8-29-14-13(9)23-16(19)24-15(14)28-17(20)25-18(26-28)22-11-5-10-7-27(2)4-3-12(10)21-6-11/h5-6,8H,3-4,7H2,1-2H3,(H3,20,22,25,26).
What are the key properties of 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine?
1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 427.93 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-3-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 42601632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).