N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine

C17H24N10S — CID 69322525

IUPACN-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCCSc1nc(NCC2CC2)c2nnn([C@@H]3CC[C@@H](c4nn[nH]n4)C3)c2n1
InChIInChI=1S/C17H24N10S/c1-2-7-28-17-19-15(18-9-10-3-4-10)13-16(20-17)27(26-21-13)12-6-5-11(8-12)14-22-24-25-23-14/h10-12H,2-9H2,1H3,(H,18,19,20)(H,22,23,24,25)/t11-,12-/m1/s1
InChIKeyUCCDBPGCOJICCP-VXGBXAGGSA-N
MW400.52 g/mol
LogP2.57
Rot. Bonds8

About N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine

N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69322525) has the molecular formula C17H24N10S and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID69322525
Molecular FormulaC17H24N10S
Molecular Weight400.52 g/mol
Exact Mass400.19
IUPAC NameN-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCCCSc1nc(NCC2CC2)c2nnn([C@@H]3CC[C@@H](c4nn[nH]n4)C3)c2n1
InChIInChI=1S/C17H24N10S/c1-2-7-28-17-19-15(18-9-10-3-4-10)13-16(20-17)27(26-21-13)12-6-5-11(8-12)14-22-24-25-23-14/h10-12H,2-9H2,1H3,(H,18,19,20)(H,22,23,24,25)/t11-,12-/m1/s1
InChIKeyUCCDBPGCOJICCP-VXGBXAGGSA-N
XLogP2.57
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine (CID 69322525) is N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine is CCCSc1nc(NCC2CC2)c2nnn([C@@H]3CC[C@@H](c4nn[nH]n4)C3)c2n1.
What is the InChIKey of N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UCCDBPGCOJICCP-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H24N10S/c1-2-7-28-17-19-15(18-9-10-3-4-10)13-16(20-17)27(26-21-13)12-6-5-11(8-12)14-22-24-25-23-14/h10-12H,2-9H2,1H3,(H,18,19,20)(H,22,23,24,25)/t11-,12-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine?
N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 400.52 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-propylsulfanyl-3-[(1R,3R)-3-(2H-tetrazol-5-yl)cyclopentyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69322525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).