2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine

C12H17N5 — CID 113367828

IUPAC2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2ccnn2C)ccn1
InChIInChI=1S/C12H17N5/c1-3-13-12-8-10(4-6-14-12)15-9-11-5-7-16-17(11)2/h4-8H,3,9H2,1-2H3,(H2,13,14,15)
InChIKeyWHQVPIASSGUXPR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds5

About 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine

2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 113367828) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
PubChem CID113367828
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCCNc1cc(NCc2ccnn2C)ccn1
InChIInChI=1S/C12H17N5/c1-3-13-12-8-10(4-6-14-12)15-9-11-5-7-16-17(11)2/h4-8H,3,9H2,1-2H3,(H2,13,14,15)
InChIKeyWHQVPIASSGUXPR-UHFFFAOYSA-N
XLogP1.86
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481
N-[(2-methylpyrazol-3-yl)methyl]-3-propoxyaniline
CID 43693776
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,4-diamine
CID 106411583
N-[(2-methylpyrazol-3-yl)methyl]-3-pyrrolidin-1-ylaniline
CID 54864487
5-chloro-2-(ethylamino)-N-[(2-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 114923526
2-N-ethyl-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,4-diamine
CID 114129208
N-[(2-methylpyrazol-3-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63303394
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
2-methoxy-5-[(2-methylpyrazol-3-yl)methylamino]phenol
CID 43743858

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine (CID 113367828) is 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine is CCNc1cc(NCc2ccnn2C)ccn1.
What is the InChIKey of 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is WHQVPIASSGUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-13-12-8-10(4-6-14-12)15-9-11-5-7-16-17(11)2/h4-8H,3,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 113367828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).