carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine

C18H19N9O2 — CID 129094403

IUPACcarbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNC(=O)O.c1cnc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)nc2c1
InChIInChI=1S/C17H16N8.CH3NO2/c1-2-5-11(4-1)20-17-19-10-14-16(22-17)25(24-23-14)15-8-7-12-13(21-15)6-3-9-18-12;2-1(3)4/h3,6-11H,1-2,4-5H2,(H,19,20,22);2H2,(H,3,4)
InChIKeyPVINPGIBEOWFTL-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.13
Rot. Bonds3

About carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine

carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 129094403) has the molecular formula C18H19N9O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Namecarbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID129094403
Molecular FormulaC18H19N9O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Namecarbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNC(=O)O.c1cnc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)nc2c1
InChIInChI=1S/C17H16N8.CH3NO2/c1-2-5-11(4-1)20-17-19-10-14-16(22-17)25(24-23-14)15-8-7-12-13(21-15)6-3-9-18-12;2-1(3)4/h3,6-11H,1-2,4-5H2,(H,19,20,22);2H2,(H,3,4)
InChIKeyPVINPGIBEOWFTL-UHFFFAOYSA-N
XLogP2.13
TPSA157.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine (CID 129094403) is carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine is NC(=O)O.c1cnc2ccc(-n3nnc4cnc(NC5CCCC5)nc43)nc2c1.
What is the InChIKey of carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is PVINPGIBEOWFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8.CH3NO2/c1-2-5-11(4-1)20-17-19-10-14-16(22-17)25(24-23-14)15-8-7-12-13(21-15)6-3-9-18-12;2-1(3)4/h3,6-11H,1-2,4-5H2,(H,19,20,22);2H2,(H,3,4).
What are the key properties of carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine?
carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 393.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N-cyclopentyl-3-(1,5-naphthyridin-2-yl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 129094403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).