N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine

C14H15N7 — CID 72850857

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc3n2CCC3)c2cccnc2n1
InChIInChI=1S/C14H15N7/c1-9-17-13-10(4-2-6-15-13)14(18-9)16-8-12-20-19-11-5-3-7-21(11)12/h2,4,6H,3,5,7-8H2,1H3,(H,15,16,17,18)
InChIKeyYTOSDIPZIWHGSV-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.48
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 72850857) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID72850857
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCc2nnc3n2CCC3)c2cccnc2n1
InChIInChI=1S/C14H15N7/c1-9-17-13-10(4-2-6-15-13)14(18-9)16-8-12-20-19-11-5-3-7-21(11)12/h2,4,6H,3,5,7-8H2,1H3,(H,15,16,17,18)
InChIKeyYTOSDIPZIWHGSV-UHFFFAOYSA-N
XLogP1.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine (CID 72850857) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1nc(NCc2nnc3n2CCC3)c2cccnc2n1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is YTOSDIPZIWHGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-17-13-10(4-2-6-15-13)14(18-9)16-8-12-20-19-11-5-3-7-21(11)12/h2,4,6H,3,5,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72850857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).