N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

C17H21N7O — CID 118456725

IUPACN-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1nc2c(Nc3cc4n(n3)CCOC4)cc([C@H]3CCCNC3)cn2n1
InChIInChI=1S/C17H21N7O/c1-2-12(8-18-3-1)13-6-15(17-19-11-20-24(17)9-13)21-16-7-14-10-25-5-4-23(14)22-16/h6-7,9,11-12,18H,1-5,8,10H2,(H,21,22)/t12-/m0/s1
InChIKeyBPPTZPNEWSZOTP-LBPRGKRZSA-N
MW339.40 g/mol
LogP1.67
Rot. Bonds3

About N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine

N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (PubChem CID 118456725) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.

Molecular Properties

Compound NameN-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
PubChem CID118456725
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
SMILESc1nc2c(Nc3cc4n(n3)CCOC4)cc([C@H]3CCCNC3)cn2n1
InChIInChI=1S/C17H21N7O/c1-2-12(8-18-3-1)13-6-15(17-19-11-20-24(17)9-13)21-16-7-14-10-25-5-4-23(14)22-16/h6-7,9,11-12,18H,1-5,8,10H2,(H,21,22)/t12-/m0/s1
InChIKeyBPPTZPNEWSZOTP-LBPRGKRZSA-N
XLogP1.67
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The IUPAC name of N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine (CID 118456725) is N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine.
What is the SMILES notation for N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The canonical SMILES for N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is c1nc2c(Nc3cc4n(n3)CCOC4)cc([C@H]3CCCNC3)cn2n1.
What is the InChIKey of N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
The InChIKey is BPPTZPNEWSZOTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N7O/c1-2-12(8-18-3-1)13-6-15(17-19-11-20-24(17)9-13)21-16-7-14-10-25-5-4-23(14)22-16/h6-7,9,11-12,18H,1-5,8,10H2,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine?
N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine is sourced from PubChem (CID 118456725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).