2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

C14H19N5O3 — CID 169117148

IUPAC2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(N[C@@H]3CCOC[C@H]3O)nn2c1
InChIInChI=1S/C14H19N5O3/c1-18(2)13(21)9-5-10-6-15-14(17-19(10)7-9)16-11-3-4-22-8-12(11)20/h5-7,11-12,20H,3-4,8H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyLMZUKYXTAPQVDB-VXGBXAGGSA-N
MW305.34 g/mol
LogP-0.01
Rot. Bonds3

About 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide

2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (PubChem CID 169117148) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.

Molecular Properties

Compound Name2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PubChem CID169117148
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(N[C@@H]3CCOC[C@H]3O)nn2c1
InChIInChI=1S/C14H19N5O3/c1-18(2)13(21)9-5-10-6-15-14(17-19(10)7-9)16-11-3-4-22-8-12(11)20/h5-7,11-12,20H,3-4,8H2,1-2H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyLMZUKYXTAPQVDB-VXGBXAGGSA-N
XLogP-0.01
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The IUPAC name of 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (CID 169117148) is 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide.
What is the SMILES notation for 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The canonical SMILES for 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is CN(C)C(=O)c1cc2cnc(N[C@@H]3CCOC[C@H]3O)nn2c1.
What is the InChIKey of 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
The InChIKey is LMZUKYXTAPQVDB-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18(2)13(21)9-5-10-6-15-14(17-19(10)7-9)16-11-3-4-22-8-12(11)20/h5-7,11-12,20H,3-4,8H2,1-2H3,(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide?
2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide has a molecular weight of 305.34 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-3-hydroxyoxan-4-yl]amino]-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide is sourced from PubChem (CID 169117148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).