4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

C9H11N5O — CID 714436

IUPAC4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N2CCCC2)n1
InChIInChI=1S/C9H11N5O/c1-15-9-12-7(6-10)11-8(13-9)14-4-2-3-5-14/h2-5H2,1H3
InChIKeyDPZWKXVRBXCHMS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.35
Rot. Bonds2

About 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile

4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 714436) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID714436
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCOc1nc(C#N)nc(N2CCCC2)n1
InChIInChI=1S/C9H11N5O/c1-15-9-12-7(6-10)11-8(13-9)14-4-2-3-5-14/h2-5H2,1H3
InChIKeyDPZWKXVRBXCHMS-UHFFFAOYSA-N
XLogP0.35
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carbonitrile
CID 672105
4,6-Dipyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 714273
4-Methoxy-6-piperidin-1-yl-[1,3,5]triazine-2-carbonitrile
CID 729323
N,N,4-Triethyl-6-methoxy-1,3,5-triazin-2-amine
CID 199902
N,N-Diethyl-4-methoxy-6-propyl-1,3,5-triazin-2-amine
CID 199908
Triazine, 2-amino-4-methyl-6-pyrrolidino-
CID 207475
4-Methoxy-6-(1-pyrrolidinylmethyl)-1,3,5-triazin-2-amine
CID 587698
N'-hydroxy-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carboximidamide
CID 3489807
N-Hydroxy-4-methoxy-6-(1-pyrrolidinyl)-1,3,5-triazine-2-carboximidamide
CID 135517564
N-Hydroxy-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine-2-carboximidamide
CID 135788802
2,4-Dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine
CID 58183099
2-[(2R)-2-isocyanopyrrolidin-1-yl]-4-methoxy-6-methyl-1,3,5-triazine
CID 59474182

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 714436) is 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is COc1nc(C#N)nc(N2CCCC2)n1.
What is the InChIKey of 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is DPZWKXVRBXCHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-9-12-7(6-10)11-8(13-9)14-4-2-3-5-14/h2-5H2,1H3.
What are the key properties of 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile?
4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 205.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).